Acetic Acid → HCID 54711175, compound

HRID 2142803Notes

Reaction equation

HRID 2142803 reaction equation
[C:39]([OH:40])(=[O:41])[CH3:42].[CH3:43][S:44]([CH3:45])=[O:46].[CH3:47][OH:48].[Cl:1][c:2]1[c:3](-[c:15]2[cH:16][cH:17][c:18]([O:21][CH2:22][C:23]3([OH:28])[CH2:24][CH:25]=[CH:26][CH2:27]3)[cH:19][cH:20]2)[c:4]2[c:5]([nH:6][c:7](=[O:13])[c:8]([C:11]#[N:12])[c:9]2[OH:10])[s:14]1.[K+:37].[K+:38].[N+:29]([C:30]([O-:31])=[O:32])([C:33]([O-:34])=[O:35])=[N-:36]>>[Cl:1][c:2]1[c:3](-[c:15]2[cH:16][cH:17][c:18]([O:21][CH2:22][C:23]3([OH:28])[CH2:24][CH2:25][CH2:26][CH2:27]3)[cH:19][cH:20]2)[c:4]2[c:5]([nH:6][c:7](=[O:13])[c:8]([C:11]#[N:12])[c:9]2[OH:10])[s:14]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 887MethanolHCID 54678077HCID 54678077, compoundHCID 178514460HCID 178514460, compound

Product 1

HCID 54711175HCID 54711175, compound

Sources & evidence

ORD record
ord-8afd8f78541547b585b96fe2e05548ba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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